$ RUN RUNFIL NBS*QUANT84-RUNFIL Revision Date: 29 FEB 1984 Calculates Irel and/or RIR and/or I/Io and/or Quantitative Analysis RUN files Written by R. L. Snyder and C. R. Hubbard Run on 4-AUG-85 at 22:12:33 Select the option for the type of RUN desired: 1 - Create a RUN file for the Internal Standard Method 2 - Create a RUN file for the Intensity Ratio Method 3 - Compute RIR's from the rel I's on the files 4 - Compute Relative Intensities 5 - Compute RIR's from computed rel I's 5 Select Output Mode Desired: (Output is 132 characters wide) 1 - causes output to be put on the interactive terminal. newname - causes output to go to the named file. - causes output to go to a file named RUNFIL.LIS. Enter the output destination: 1 Select a print control option (I1): 0 = Full listing of data files 1 = Heading on first data file only 2 = Data file titles only 0 Enter weighting choice: 0 for counting statistical weights 1 for unit weights 0 Input all the files for calibration phase number 1 Enter a blank for the requested file name after the last file for this phase has been processed Enter name for file # 1 CR065D Title: 6GMQTZ.-4GMS SI. FOR INTERNAL STANDARD JOHN J. SIMMINS RUN File: CR040R File: CR065D.RAW collected on: 82 723 1631 2 # Mountings= 2 # Repetions= 1 Control flags = 2210120000 Data collected on unit AM-1 with a CU Target using the KA line with a wavelength of 1.5406 Angstroms Focal spot type = FF Take Off Angle = 5.5 Degrees Divergence Slit of type TC with 12.50 degree (or MM for TC) Radius of diffractometer = 172.00 mm Divergence of incident and receiving soller slits = 4.0 0.0 Receiving slit of 0.1 Degrees Monochrometer type = GR Detector type = SC Dead Time = 1.00 Instrument Stability Factor = 0.10 Percent. Instrument Calibration Flags = 000000 Two Theta Offset = 0.000 Calibration polynomial coefficients = 0.0000000E+00 0.0000000E+00 0.0000000E+00 0.0000000E+00 0.0000000E+00 Negative numbers in the following table imply quantities which are meaningless for the current run, ' or to be calculated later ln fl Two Theta Region Delt Phase Line Rel Sig Intstd Ref Reference Sig of cnt Peak Var Intg' Var Req Obs Bkg. Bkg Peak Pk. Max # # Bkglo Peak Bkghi Ang Name h k l Int Rel Conc Conc Intensity Refint Typ Int. PkI Area Area Err Err Time Pts Time Pts Tim 1 1 20.40 20.85 21.20 .010 QUARTZ 1 0 0 -1.-0.5 -1.000 0.000 -0.5000-0.5000 Int 905 4 1460 2 0.0 0.1 7.37 10 5.45 9 8. 2 1 25.20 26.65 27.50 .010 QUARTZ 1 0 1 -1.-0.5 -1.000 0.000 -0.5000-0.5000 Int 5268 126 8542 67 0.0 0.1 5.00 10 1.80 9 8. 3 1 25.20 26.68 27.50 .010 QUARTZ 1 0 1 -1.-0.5 -1.000 0.000 -0.5000-0.5000 Pk 7969 23 0 0 0.0 0.1 0.88 10 24.71 9 4. 4 1 27.50 28.44 29.40 .010 SILICN 1 1 1 -1.-0.5 0.400 -1.000 -0.5000-0.5000 Int 3840 85 6272 46 0.0 0.1 5.04 10 2.22 9 8. 5 1 39.80 40.29 41.75 .010 QUARTZ 1 1 1 -1.-0.5 -1.000 1.000 -0.5000-0.5000 Int 199 15 251 15 0.0 1.5 11.07 10 1.47 9 8. 6 1 41.75 42.47 43.30 .010 QUARTZ 2 0 0 -1.-0.5 -1.000 1.000 -0.5000-0.5000 Int 341 17 410 11 0.0 0.8 8.83 10 2.23 9 8. 7 1 55.55 56.12 56.85 .010 SILICN 3 1 1 -1.-0.5 0.400 -1.000 -0.5000-0.5000 Int 1306 82 1838 39 0.0 0.3 7.69 10 2.94 9 8. 8 1 56.85 56.13 0.00 .010 SILICN 3 1 1 -1.-0.5 0.400 -1.000 -0.5000-0.5000 Pk 1385 7 0 0 0.0 0.2 3.17 10 23.14 9 4. 1 2 20.40 20.85 21.20 .010 QUARTZ 1 0 0 -1.-0.5 -1.000 0.000 -0.5000-0.5000 Int 1046 5 1527 3 0.0 0.1 7.59 10 5.38 9 8. 2 2 25.20 26.65 27.50 .010 QUARTZ 1 0 1 -1.-0.5 -1.000 0.000 -0.5000-0.5000 Int 5896 144 7778 63 0.0 0.1 5.31 10 1.77 9 8. 3 2 25.20 26.66 0.00 .010 QUARTZ 1 0 1 -1.-0.5 -1.000 0.000 -0.5000-0.5000 Pk 7196 18 0 0 0.0 0.1 1.84 10 24.63 9 4. The rest of this physical file will be skipped using only up to set 1 Enter name for file # 2 CR067D Title: 60%QTZ-40%SI; SPRAYDRIED; INTERNAL STANDARD JOHN J. SIMMINS RUN File: CR040R File: CR067D.RAW collected on: 82 727 85818 # Mountings= 1 # Repetions= 2 Control flags = 2210210000 Data collected on unit AM-1 with a CU Target using the KA line with a wavelength of 1.5406 Angstroms Focal spot type = FF Take Off Angle = 5.5 Degrees Divergence Slit of type TC with 12.50 degree (or MM for TC) Radius of diffractometer = 172.00 mm Divergence of incident and receiving soller slits = 4.0 0.0 Receiving slit of 0.1 Degrees Monochrometer type = GR Detector type = SC Dead Time = 1.00 Instrument Stability Factor = 0.10 Percent. Instrument Calibration Flags = 000000 Two Theta Offset = 0.000 Calibration polynomial coefficients = 0.0000000E+00 0.0000000E+00 0.0000000E+00 0.0000000E+00 0.0000000E+00 Negative numbers in the following table imply quantities which are meaningless for the current run, ' or to be calculated later ln fl Two Theta Region Delt Phase Line Rel Sig Intstd Ref Reference Sig of cnt Peak Var Intg' Var Req Obs Bkg. Bkg Peak Pk. Max # # Bkglo Peak Bkghi Ang Name h k l Int Rel Conc Conc Intensity Refint Typ Int. PkI Area Area Err Err Time Pts Time Pts Tim 1 2 20.40 20.85 21.20 .010 QUARTZ 1 0 0 -1.-0.5 -1.000 0.000 -0.5000-0.5000 Int 1207 6 1416 3 0.0 0.1 8.57 10 5.06 9 8. 2 2 25.20 26.65 27.50 .010 QUARTZ 1 0 1 -1.-0.5 -1.000 0.000 -0.5000-0.5000 Int 6889 165 8042 64 0.0 0.1 4.99 10 1.80 9 8. 3 2 25.20 26.65 27.50 .010 QUARTZ 1 0 1 -1.-0.5 -1.000 0.000 -0.5000-0.5000 Pk 7631 21 0 0 0.0 0.1 0.81 10 24.87 9 4. 4 2 27.50 28.44 29.40 .010 SILICN 1 1 1 -1.-0.5 0.400 -1.000 -0.5000-0.5000 Int 4878 116 5761 44 0.0 0.1 6.31 10 2.07 9 8. 5 2 39.80 40.29 41.75 .010 QUARTZ 1 1 1 -1.-0.5 -1.000 1.000 -0.5000-0.5000 Int 234 17 244 14 0.0 1.6 11.19 10 1.46 9 8. 6 2 41.75 42.47 43.30 .010 QUARTZ 2 0 0 -1.-0.5 -1.000 1.000 -0.5000-0.5000 Int 338 17 394 11 0.0 0.9 8.96 10 2.21 9 8. 7 2 55.55 56.12 56.85 .010 SILICN 3 1 1 -1.-0.5 0.400 -1.000 -0.5000-0.5000 Int 1353 81 1815 39 0.0 0.3 7.00 10 3.06 9 8. 8 2 56.85 56.09 0.00 .010 SILICN 3 1 1 -1.-0.5 0.400 -1.000 -0.5000-0.5000 Pk 1309 6 0 0 0.0 0.2 2.94 10 23.40 9 4. 1 3 20.40 20.85 21.20 .010 QUARTZ 1 0 0 -1.-0.5 -1.000 0.000 -0.5000-0.5000 Int 1194 6 1470 3 0.0 0.1 7.94 10 5.26 9 8. 2 3 25.20 26.65 27.50 .010 QUARTZ 1 0 1 -1.-0.5 -1.000 0.000 -0.5000-0.5000 Int 6935 168 8013 65 0.0 0.1 5.19 10 1.78 9 8. 3 3 25.20 26.65 27.50 .010 QUARTZ 1 0 1 -1.-0.5 -1.000 0.000 -0.5000-0.5000 Pk 7435 20 0 0 0.0 0.1 0.90 10 24.67 9 4. 4 3 27.50 28.44 29.40 .010 SILICN 1 1 1 -1.-0.5 0.400 -1.000 -0.5000-0.5000 Int 4802 111 5630 43 0.0 0.1 5.87 10 2.12 9 8. 5 3 39.80 40.29 41.75 .010 QUARTZ 1 1 1 -1.-0.5 -1.000 1.000 -0.5000-0.5000 Int 233 18 244 14 0.0 1.6 11.70 10 1.40 9 8. 6 3 41.75 42.47 43.30 .010 QUARTZ 2 0 0 -1.-0.5 -1.000 1.000 -0.5000-0.5000 Int 320 15 384 11 0.0 0.9 7.42 10 2.44 9 8. 7 3 55.55 56.12 56.85 .010 SILICN 3 1 1 -1.-0.5 0.400 -1.000 -0.5000-0.5000 Int 1338 82 1776 38 0.0 0.4 7.38 10 2.99 9 8. 8 3 56.85 56.09 0.00 .010 SILICN 3 1 1 -1.-0.5 0.400 -1.000 -0.5000-0.5000 Pk 1285 6 0 0 0.0 0.2 2.91 10 23.43 9 4. Enter name for file # 4 ^Y $